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Geometry for HCONHCH3 (N-methylformamide) 1A' C1 cis

1910171554
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4) INChIKey=ATHHXGZTWNVVOU-UHFFFAOYSA-N

B3LYP/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8770 0.4517 0.0014   -0.9040 0.3948 0.0038
O2 1.4198 -0.6817 0.0007   -1.3734 -0.7709 -0.0017
N3 -0.4879 0.6671 -0.0137   0.4443 0.6969 -0.0110
C4 -1.4553 -0.4517 0.0029   1.4811 -0.3579 0.0001
H5 1.4640 1.3905 0.0103   -1.5498 1.2942 0.0173
H6 -0.8255 1.6197 0.0484   0.7205 1.6688 0.0552
H7 -2.4575 -0.0721 -0.2198   2.4569 0.0859 -0.2213
H8 -1.1819 -1.1969 -0.7510   1.2553 -1.1157 -0.7570
H9 -1.4728 -0.9572 0.9774   1.5317 -0.8656 0.9723
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2567 1.3818 2.5011 1.1073 2.0651 3.3826 2.7428 2.9085
O2 1.2567 2.3364 2.8843 2.0727 3.2156 3.9312 2.7567 3.0655
N3 1.3818 2.3364 1.4791 2.0818 1.0125 2.1138 2.1213 2.1426
C4 2.5011 2.8843 1.4791 3.4520 2.1655 1.0946 1.0947 1.0979
H5 1.1073 2.0727 2.0818 3.4520 2.3012 4.1917 3.7782 3.8823
H6 2.0651 3.2156 1.0125 2.1655 2.3012 2.3659 2.9494 2.8147
H7 3.3826 3.9312 2.1138 1.0946 4.1917 2.3659 1.7818 1.7850
H8 2.7428 2.7567 2.1213 1.0947 3.7782 2.9494 1.7818 1.7690
H9 2.9085 3.0655 2.1426 1.0979 3.8823 2.8147 1.7850 1.7690
Maximum atom distance is 4.1917Å between atoms H5 and H7.
picture of N-methylformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 C4 121.867 O2 C1 N3 124.560
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.378 O2 C1 H5 122.386
N3 C1 H5 113.054 N3 C4 H7 109.522
N3 C4 H8 110.112 N3 C4 H9 111.631
C4 N3 H6 119.530 H7 C4 H8 108.949
H7 C4 H9 108.998 H8 C4 H9 107.569

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.